SCHEMBL15317149

SCHEMBL15317149

COc1ccc2cc(C)cc(C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2A6 P11509 3/20 0.50
POLB P06746 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
RAPGEF4 Q8WZA2 2/20 0.43
ACHE P22303 2/20 0.43
GSTP1 P09211 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14267988 0.81 ALDH1A1 (0.46) CYP1A2CYP2A6POLBKDM4EALDH1A1
SCHEMBL10428901 0.81 CYP1A2 (0.44) CYP1A2CYP2A6POLBKDM4EALDH1A1
SCHEMBL15869806 0.78 CYP2A6 (0.54) CYP1A2CYP2A6KDM4EALDH1A1HSD17B10
SCHEMBL7750 0.76 CYP2A6 (0.65) CYP1A2CYP2A6POLBKDM4EHSD17B1
SCHEMBL597701 0.76 CYP1A2 (0.60) CYP1A2CYP2A6KDM4EALDH1A1HSD17B10
SCHEMBL4203130 0.76 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL26710972 0.76 CYP2A6 (0.52) CYP1A2CYP2A6KDM4EALDH1A1HSD17B10
SCHEMBL19303640 0.76 CYP2A6 (0.48) CYP1A2CYP2A6KDM4EALDH1A1HSD17B10
SCHEMBL19382614 0.75 CYP1A2 (0.61) CYP1A2CYP2A6POLBKDM4EALDH1A1
SCHEMBL23934774 0.74 POLB (0.40) CYP1A2CYP2A6POLBKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9142850-B2 Tri-block copolymer and electrolyte membrane made from the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-9048479-B2 Tri-block copolymer and electrolyte membrane made from the same LG CHEM, LTD. (KR) 2015-06-02 US disclosed
US-20130273450-A1 TRI-BLOCK COPOLYMER AND ELECTROLYTE MEMBRANE MADE FROM THE SAME LG CHEM, LTD. (KR) 2013-10-17 US disclosed